Tenifatecan

Base Information

• Chemical Name: Tenifatecan
• CAS No.: 850728-18-6
• Molecular Formula: C₅₅H₇₂N₂O₉
• Molecular Weight: 905.185
• UNII: 7G0Y719Q80
• ChEMBL ID: CHEMBL2105666
• DSSTox Substance ID: DTXSID301031352
• NCI Thesaurus Code: C64772
• Wikidata: Q27268215
• Mol file: 850728-18-6.mol

Synonyms:TENIFATECAN;850728-18-6;SN2310;SN 2310;7G0Y719Q80;1-O-[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-O-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanedioate;SN-2310;Tenifatecan [USAN];Tenifatecan [USAN:INN];UNII-7G0Y719Q80;TENIFATECAN [INN];Tenifatecan (USAN/INN);CHEMBL2105666;SCHEMBL15341184;DTXSID301031352;TS-09393;D09679;Q27268215;(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H- pyrano3',4':6,7indolizino1,2-bquinolin- 9-yl (2R)-2,5,7,8-tetramethyl-2-(4R,8R)- 4,8,12-trimethyltridecyl-3,4-dihydro-2H-1-benzopyran-6-yl butanedioate;(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN- 9-YL (2R)-2,5,7,8-TETRAMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-6-YL BUTANEDIOATE;(S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ((R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl) succinate;(S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl((R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl)succinate;BUTANEDIOIC ACID, (4S)-4,11-DIETHYL-3,4,12,14-TETRAHYDRO-4-HYDROXY-3,14-DIOXO-1H- PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL (2R)-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2- ((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-YL ESTER;Butanedioic acid, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H- pyrano3',4':6,7indolizino1,2-bquinolin-9-yl (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2- (4R,8R)-4,8,12-trimethyltridecyl-2H-1-benzopyran-6-yl ester

Chemical Property of Tenifatecan

Chemical Property:

• XLogP3: 12
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 21
• Exact Mass: 904.52378188
• Heavy Atom Count: 66
• Complexity: 1810

Purity/Quality:

99% ^*data from raw suppliers

SN-2310 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)CCC(=O)OC6=C(C7=C(C(=C6C)C)OC(CC7)(C)CCCC(C)CCCC(C)CCCC(C)C)C
• Isomeric SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)CCC(=O)OC6=C(C7=C(C(=C6C)C)O[C@](CC7)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C

Technology Process of Tenifatecan

There total 1 articles about Tenifatecan which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.9%

7-ethyl-10-hydroxycamptothecin (86639-52-3,110714-48-2,130144-34-2,113015-38-6,647852-82-2) + vitamin E succinate (4345-03-3) → tocopherol succinate 7-ethyl-10-hydroxycamptothecin (850728-18-6)

Guidance literature:

vitamin E succinate; With thionyl chloride; In toluene; at 20 ℃; for 24h;

7-ethyl-10-hydroxycamptothecin; With triethylamine; In methylene chloride; N,N-dimethyl acetamide; at 20 ℃; for 1470h; Product distribution / selectivity;

upstream raw materials:

7-ethyl-10-hydroxycamptothecin

vitamin E succinate

Refernces

• 1、 -. "NOVEL PRO- AND CODRUG DERIVATIVES FOR NANOPARTICLE DELIVERY OF SELECT ANTICANCER AGENTS FORMED USING RAPIDLY CLEAVABLE PHENOLIC ESTER BRIDGES". Page/Page column 8. . Retrieved 2014/01/08.